cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C20H28N4O2 — CID 97474863

IUPACcyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@@H]1CC2(CCN(C(=O)C3=CCCC3)CC2)CN1c1ncccn1
InChIInChI=1S/C20H28N4O2/c1-26-14-17-13-20(15-24(17)19-21-9-4-10-22-19)7-11-23(12-8-20)18(25)16-5-2-3-6-16/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3/t17-/m0/s1
InChIKeyHBTSZTNKQGBXMC-KRWDZBQOSA-N
MW356.47 g/mol
LogP2.42
Rot. Bonds4

About cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97474863) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97474863
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Namecyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@@H]1CC2(CCN(C(=O)C3=CCCC3)CC2)CN1c1ncccn1
InChIInChI=1S/C20H28N4O2/c1-26-14-17-13-20(15-24(17)19-21-9-4-10-22-19)7-11-23(12-8-20)18(25)16-5-2-3-6-16/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3/t17-/m0/s1
InChIKeyHBTSZTNKQGBXMC-KRWDZBQOSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97474863) is cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is COC[C@@H]1CC2(CCN(C(=O)C3=CCCC3)CC2)CN1c1ncccn1.
What is the InChIKey of cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is HBTSZTNKQGBXMC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-26-14-17-13-20(15-24(17)19-21-9-4-10-22-19)7-11-23(12-8-20)18(25)16-5-2-3-6-16/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3/t17-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3S)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97474863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).